Methyl 4-Butyramido-3-Methylbenzoate

Basic Information

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CAS Number

301533-59-5

Molecular Formula

C13H17NO3

Molecular Weight

235.28 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Boiling Point

397.5°C at 760 mmHg

SMILES

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CCCC(=O)NC1=C(C=C(C=C1)C(=O)OC)C

InChI

InChI=1S/C13H17NO3/c1-4-5-12(15)14-11-7-6-10(8-9(11)2)13(16)17-3/h6-8H,4-5H2,1-3H3,(H,14,15)

InChIKey

RZMQQYDXKPDLJH-UHFFFAOYSA-N

LogP

2.520220000000001

Topological Polar Surface Area

55.4 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

278

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

Benzoic acid, 3-methyl-4-[(1-oxobutyl)amino]-, methyl ester
AM90300
MFCD21368226
methyl N-butyryl-4-amino-3-methyl-benzoate
methyl 4-(butanoylamino)-3-methylbenzoate
Benzoic acid, 3-methyl-4-[(1-oxobutyl)amino]-, methyl ester; 3-Methyl-4-butyrylaminobenzoic acid methyl ester; 4-Butyrylamino-3-methylbenzoic acid methyl ester; Methyl 4-Butyrylamino-3-methylbenzoate
DTXSID80431858
AKOS009141931
methyl 4-butyrylamino-3-methylbenzoate
Methyl 4-butyramido-3-methylbenzoate
RZMQQYDXKPDLJH-UHFFFAOYSA-N
CS-0152461
FT-0658737
Methyl4-butyramido-3-methylbenzoate
AC-6860
SY108442
DS-17765
D78269
SCHEMBL3789228
301533-59-5
methyl N-butyryl-4-amino-3-methylbenzoate
4-Butylacetamino-3-methylbenzoic acid methyl ester
METHYL 4-BUTYLACETAMINO-3-METHYLBENZOATE
4-butyrylamino-3-methylbenzoic acid methyl ester
BEN178
Benzoic acid,3-methyl-4-[(1-oxobutyl)amino]-,methyl ester
methyl 4-(n-butyrylamino)-3-methylbenzoate
n-butyryl-4-amino-3-methyl-methyl benzoate
4-BUTYRYLAMINO-3-METHYL-BENZOIC AC

MDL Number

MFCD09839029

Customs Code

2924299090

FAQ

What regulatory guidelines apply to Methyl 4-Butyramido-3-Methylbenzoate (CAS: 301533-59-5)?

Methyl 4-Butyramido-3-Methylbenzoate (CAS: 301533-59-5) must comply with the Globally Harmonized System of Classification and Labeling of Chemicals (GHS), REACH regulations in the European Union, and the FDA and EPA requirements in the United States. It is classified as a chemical substance that may require registration and notification under REACH, and it must be labeled with appropriate hazard communication information as per GHS guidelines.

Are there alternatives to Methyl 4-Butyramido-3-Methylbenzoate (CAS: 301533-59-5) in synthesis?

There are alternative reagents that can be used in the synthesis of similar compounds, such as methyl 4-acetoxy-3-methylbenzoate or methyl 4-aminobenzoate. These alternatives can offer similar functionalities and may be chosen based on the specific requirements of the reaction or the availability of reagents.

What is the market or research trend for Methyl 4-Butyramido-3-Methylbenzoate (CAS: 301533-59-5)?

The market trend for Methyl 4-Butyramido-3-Methylbenzoate (CAS: 301533-59-5) indicates increasing demand in pharmaceutical and chemical research due to its use in synthesizing active pharmaceutical ingredients. Recent research trends focus on exploring its application in drug discovery and development, as well as its potential in new chemical and material synthesis.

How should waste containing Methyl 4-Butyramido-3-Methylbenzoate (CAS: 301533-59-5) be handled?

Waste containing Methyl 4-Butyramido-3-Methylbenzoate (CAS: 301533-59-5) should be collected in appropriate containers and disposed of through professional waste disposal services. It is crucial to follow local and international regulations for hazardous waste disposal. Environmental protection measures should include proper incineration and neutralization to minimize environmental impact and ensure compliance with environmental protection standards.